CAS RN: 84477-71-4
CAS Name: 2-(phenylmethyl)piperazine dihydrochloride
OPENEYE Name: 2-benzylpiperazine dihydrochloride
IUPAC Name: 2-benzylpiperazine dihydrochloride
SYSTEMATIC NAME: 2-(phenylmethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C11H18Cl2N2
MOLECULAR WEIGHT: 249.18002
SMILES: C1CNC(CN1)CC2=CC=CC=C2.Cl.Cl
CAS RN: 885277-06-5
CAS Name: 4-methoxy-2-(3-pyridinyl)butanoic acid
OPENEYE Name: 4-methoxy-2-(3-pyridyl)butanoic acid
IUPAC Name: 4-methoxy-2-pyridin-3-ylbutanoic acid
SYSTEMATIC NAME: 4-methoxy-2-pyridin-3-yl-butanoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COCCC(C1=CN=CC=C1)C(=O)O
CAS RN: 954240-50-7
CAS Name: (2-propan-2-yloxy-3-pyridinyl)methanol
OPENEYE Name: (2-isopropoxy-3-pyridyl)methanol
IUPAC Name: (2-propan-2-yloxypyridin-3-yl)methanol
SYSTEMATIC NAME: (2-propan-2-yloxypyridin-3-yl)methanol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(C)OC1=C(C=CC=N1)CO
CAS RN: 875781-15-0
CAS Name: 5-bromo-2-fluoro-3-pyridinecarboxaldehyde
OPENEYE Name: 5-bromo-2-fluoro-pyridine-3-carbaldehyde
IUPAC Name: 5-bromo-2-fluoropyridine-3-carbaldehyde
SYSTEMATIC NAME: 5-bromanyl-2-fluoranyl-pyridine-3-carbaldehyde
MOLECULAR FORMULA: C6H3BrFNO
MOLECULAR WEIGHT: 203.996523
SMILES: C1=C(C(=NC=C1Br)F)C=O
CAS RN: 84832-02-0
CAS Name: 3-amino-2,6-difluorobenzoic acid methyl ester
OPENEYE Name: methyl 3-amino-2,6-difluoro-benzoate
IUPAC Name: methyl 3-amino-2,6-difluorobenzoate
SYSTEMATIC NAME: methyl 3-azanyl-2,6-bis(fluoranyl)benzoate
MOLECULAR FORMULA: C8H7F2NO2
MOLECULAR WEIGHT: 187.143486
SMILES: COC(=O)C1=C(C=CC(=C1F)N)F
CAS RN: 885698-94-2
CAS Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
OPENEYE Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
IUPAC Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SYSTEMATIC NAME: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
MOLECULAR FORMULA: C14H19BN2O2
MOLECULAR WEIGHT: 258.12386
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C
CAS RN: 918503-72-7
CAS Name: 1-(6-chloro-3-pyridinyl)-1-butanone
OPENEYE Name: 1-(6-chloro-3-pyridyl)butan-1-one
IUPAC Name: 1-(6-chloropyridin-3-yl)butan-1-one
SYSTEMATIC NAME: 1-(6-chloranylpyridin-3-yl)butan-1-one
MOLECULAR FORMULA: C9H10ClNO
MOLECULAR WEIGHT: 183.6348
SMILES: CCCC(=O)C1=CN=C(C=C1)Cl
CAS RN: 1476-98-8
CAS Name: (S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol hydrochloride
OPENEYE Name: (S)-[(2R,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methanol hydrochloride
IUPAC Name: (S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol hydrochloride
SYSTEMATIC NAME: (S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol hydrochloride
MOLECULAR FORMULA: C20H27ClN2O2
MOLECULAR WEIGHT: 362.89358
SMILES: CC[C@H]1CN2CCC1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O.Cl
CAS RN: 39404-00-7
CAS Name: 3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoate; [12-(2-carboxyethyl)-8-(2-carboxylatoethyl)-2,17-bis(ethenyl)-3,7,13,18-tetramethyl-21-porphyrin-21-ium-23-idylidene]iron; iron(5+)
OPENEYE Name: [13-(2-carboxyethyl)-17-(2-carboxylatoethyl)-2,7,12,18-tetramethyl-3,8-divinyl-porphyrin-21-ium-23-id-21-ylidene]iron; 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoate; iron(5+)
IUPAC Name: 3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate; [12-(2-carboxyethyl)-8-(2-carboxylatoethyl)-2,17-bis(ethenyl)-3,7,13,18-tetramethylporphyrin-21-ium-23-id-21-ylidene]iron; iron(5+)
SYSTEMATIC NAME: [2,17-bis(ethenyl)-12-(3-hydroxy-3-oxopropyl)-3,7,13,18-tetramethyl-8-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21-ium-23-id-21-ylidene]iron; 3-[7,12-bis(ethenyl)-18-(3-hydroxy-3-oxopropyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate;
MOLECULAR FORMULA: C272H248Fe8N32O32+4
MOLECULAR WEIGHT: 4923.83472
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)O.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)O.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C
CAS RN: 126253-36-9
CAS Name: (2S,4R)-2,4-diammoniopentanoate
OPENEYE Name: (2S,4R)-2,4-bis(azaniumyl)pentanoate
IUPAC Name: (2S,4R)-2,4-bis(azaniumyl)pentanoate
SYSTEMATIC NAME: (2S,4R)-2,4-bis(azaniumyl)pentanoate
MOLECULAR FORMULA: C5H13N2O2+
MOLECULAR WEIGHT: 133.16892
SMILES: C[C@H](C[C@@H](C(=O)[O-])[NH3+])[NH3+]
CAS RN: 17306-46-6
CAS Name: 7-[[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 7-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
CAS RN: 918655-03-5
CAS Name: [4-(2-naphthalenyl)phenyl]boronic acid
OPENEYE Name: [4-(2-naphthyl)phenyl]boronic acid
IUPAC Name: (4-naphthalen-2-ylphenyl)boronic acid
SYSTEMATIC NAME: (4-naphthalen-2-ylphenyl)boronic acid
MOLECULAR FORMULA: C16H13BO2
MOLECULAR WEIGHT: 248.08422
SMILES: B(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)(O)O
CAS RN: 945557-04-0
CAS Name: 5-bromo-3-chloro-2-pyridinecarbonitrile
OPENEYE Name: 5-bromo-3-chloro-pyridine-2-carbonitrile
IUPAC Name: 5-bromo-3-chloropyridine-2-carbonitrile
SYSTEMATIC NAME: 5-bromanyl-3-chloranyl-pyridine-2-carbonitrile
MOLECULAR FORMULA: C6H2BrClN2
MOLECULAR WEIGHT: 217.45048
SMILES: C1=C(C(=NC=C1Br)C#N)Cl
CAS RN: 321535-23-3
CAS Name: 6-iodo-2,3-dimethoxypyridine
OPENEYE Name: 6-iodo-2,3-dimethoxy-pyridine
IUPAC Name: 6-iodo-2,3-dimethoxypyridine
SYSTEMATIC NAME: 6-iodanyl-2,3-dimethoxy-pyridine
MOLECULAR FORMULA: C7H8INO2
MOLECULAR WEIGHT: 265.04839
SMILES: COC1=C(N=C(C=C1)I)OC
CAS RN: 21233-18-1
CAS Name: 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoic acid [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4a-hydroxy-8-oxo-4-vinyl-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
IUPAC Name: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-oxidanyl-8-oxidanylidene-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] 2-(3-hydroxyphenyl)-4,6-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C29H30O14
MOLECULAR WEIGHT: 602.5401
SMILES: C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O
CAS RN: 1188263-51-5
CAS Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride
OPENEYE Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride
IUPAC Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride
SYSTEMATIC NAME: 5-chloranyl-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride
MOLECULAR FORMULA: C9H9Cl2N5S
MOLECULAR WEIGHT: 294.196907
SMILES: [2H]C1(C(N=C(N1)NC2=C(C=CC3=NSN=C32)Cl)([2H])[2H])[2H].Cl
CAS RN: 1132661-83-6
CAS Name: (2S,3aS,6aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
OPENEYE Name: (2S,3aS,6aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aS,6aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C23H32N2O5
MOLECULAR WEIGHT: 420.535227
SMILES: [2H][C@@](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)(C([2H])([2H])[2H])N[C@@H](CCC3=CC=CC=C3)C(=O)OCC
CAS RN: 1215370-26-5
CAS Name: 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]-2,3,5,6-tetradeuteriophenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[2-(5-acetyl-2-pyridyl)ethoxy]-2,3,5,6-tetradeuterio-phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[2-(5-acetylpyridin-2-yl)ethoxy]-2,3,5,6-tetradeuteriophenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[2,3,5,6-tetradeuterio-4-[2-(5-ethanoylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 374.446867
SMILES: [2H]C1=C(C(=C(C(=C1CC2C(=O)NC(=O)S2)[2H])[2H])OCCC3=NC=C(C=C3)C(=O)C)[2H]
CAS RN: 1188263-49-1
CAS Name: 5-[[2,3,5,6-tetradeuterio-4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[2,3,5,6-tetradeuterio-4-[2-[5-(1-hydroxyethyl)-2-pyridyl]ethoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[2,3,5,6-tetradeuterio-4-[2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[2,3,5,6-tetradeuterio-4-[2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 376.462747
SMILES: [2H]C1=C(C(=C(C(=C1CC2C(=O)NC(=O)S2)[2H])[2H])OCCC3=NC=C(C=C3)C(C)O)[2H]
CAS RN: 1188265-49-7
CAS Name: 1,2,3,4-tetradeuterio-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
OPENEYE Name: 1,2,3,4-tetradeuterio-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
IUPAC Name: 1,2,3,4-tetradeuterio-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SYSTEMATIC NAME: 1,2,3,4-tetradeuterio-5-oxidanyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
MOLECULAR FORMULA: C15H14N2O2
MOLECULAR WEIGHT: 258.308507
SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(CC3=CC=CC=C3N2C(=O)N)O)[2H])[2H]
CAS RN: 1216450-69-9
CAS Name: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfonyl]-6-methoxy-1H-benzimidazole
OPENEYE Name: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridyl]methylsulfonyl]-6-methoxy-1H-benzimidazole
IUPAC Name: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfonyl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfonyl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C17H19N3O4S
MOLECULAR WEIGHT: 364.433945
SMILES: [2H]C([2H])([2H])OC1=C(C(=NC=C1C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)C
CAS RN: 922731-03-1
CAS Name: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-6-methoxy-1H-benzimidazole
OPENEYE Name: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridyl]methylsulfinyl]-6-methoxy-1H-benzimidazole
IUPAC Name: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-6-methoxy-1H-benzimidazole
SYSTEMATIC NAME: 2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-6-methoxy-1H-benzimidazole
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 348.434545
SMILES: [2H]C([2H])([2H])OC1=C(C(=NC=C1C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C
CAS RN: 1246820-62-1
CAS Name: 2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid
OPENEYE Name: 2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
IUPAC Name: 2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SYSTEMATIC NAME: 2-butyl-5-chloranyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
MOLECULAR FORMULA: C22H21ClN6O2
MOLECULAR WEIGHT: 440.918787
SMILES: [2H]C1=C(C(=C(C(=C1CN2C(=NC(=C2C(=O)O)Cl)CCCC)[2H])[2H])C3=CC=CC=C3C4=NNN=N4)[2H]
CAS RN: 1217836-87-7
CAS Name: 2,2,2-trideuterio-N-[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
OPENEYE Name: 2,2,2-trideuterio-N-[[(5S)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]acetamide
IUPAC Name: 2,2,2-trideuterio-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SYSTEMATIC NAME: 2,2,2-trideuterio-N-[[(5S)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
MOLECULAR FORMULA: C16H20FN3O4
MOLECULAR WEIGHT: 341.357243
SMILES: [2H][13C]([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
CAS RN: 1216698-89-3
CAS Name: N-[2,6-bis(trideuteriomethyl)phenyl]-2-(ethylamino)acetamide
OPENEYE Name: N-[2,6-bis(trideuteriomethyl)phenyl]-2-(ethylamino)acetamide
IUPAC Name: N-[2,6-bis(trideuteriomethyl)phenyl]-2-(ethylamino)acetamide
SYSTEMATIC NAME: N-[2,6-bis(trideuteriomethyl)phenyl]-2-(ethylamino)ethanamide
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 212.321091
SMILES: [2H]C([2H])([2H])C1=C(C(=CC=C1)C([2H])([2H])[2H])NC(=O)CNCC
CAS RN: 1217211-78-3
CAS Name: 4-[2-[(E)-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxy-3-oxoprop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-oxo-3-[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethoxy]prop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 4-[2-[(E)-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxy-3-oxoprop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 4-[2-[(E)-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H33NO6
MOLECULAR WEIGHT: 464.598776
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)/C=C/C1=CC=CC=C1C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC
CAS RN: 1216883-23-6
CAS Name: 8-butyl-7-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7,9-diazaspiro[4.4]non-8-en-6-one
OPENEYE Name: 8-butyl-7-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7,9-diazaspiro[4.4]non-8-en-6-one
IUPAC Name: 8-butyl-7-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7,9-diazaspiro[4.4]non-8-en-6-one
SYSTEMATIC NAME: 8-butyl-7-[[2,3,5,6-tetradeuterio-4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-7,9-diazaspiro[4.4]non-8-en-6-one
MOLECULAR FORMULA: C25H28N6O
MOLECULAR WEIGHT: 432.554067
SMILES: [2H]C1=C(C(=C(C(=C1CN2C(=NC3(C2=O)CCCC3)CCCC)[2H])[2H])C4=CC=CC=C4C5=NNN=N5)[2H]
CAS RN: 1188331-43-2
CAS Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]-1-propanamine
OPENEYE Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
IUPAC Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SYSTEMATIC NAME: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
MOLECULAR FORMULA: C16H16F3NO
MOLECULAR WEIGHT: 300.330358
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCN)OC2=CC=C(C=C2)C(F)(F)F)[2H])[2H]
CAS RN: 1188265-34-0
CAS Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride
OPENEYE Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
IUPAC Name: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
MOLECULAR FORMULA: C16H17ClF3NO
MOLECULAR WEIGHT: 336.791298
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCN)OC2=CC=C(C=C2)C(F)(F)F)[2H])[2H].Cl
CAS RN: 1215683-02-5
CAS Name: sulfuric acid (3,4,5,6,8-pentadeuterio-2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (3,4,5,6,8-pentadeuterio-2-oxo-chromen-7-yl) hydrogen sulfate
IUPAC Name: (3,4,5,6,8-pentadeuterio-2-oxochromen-7-yl) hydrogen sulfate
SYSTEMATIC NAME: (3,4,5,6,8-pentadeuterio-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
MOLECULAR FORMULA: C9H6O6S
MOLECULAR WEIGHT: 247.236149
SMILES: [2H]C1=C(C(=C(C2=C1C(=C(C(=O)O2)[2H])[2H])[2H])OS(=O)(=O)O)[2H]
CAS RN: 1215373-23-1
CAS Name: 3,4,5,6,8-pentadeuterio-7-hydroxy-1-benzopyran-2-one
OPENEYE Name: 3,4,5,6,8-pentadeuterio-7-hydroxy-chromen-2-one
IUPAC Name: 3,4,5,6,8-pentadeuterio-7-hydroxychromen-2-one
SYSTEMATIC NAME: 3,4,5,6,8-pentadeuterio-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C9H6O3
MOLECULAR WEIGHT: 167.172949
SMILES: [2H]C1=C(C(=C(C2=C1C(=C(C(=O)O2)[2H])[2H])[2H])O)[2H]
No comments:
Post a Comment